terclim by ICS banner
IVES 9 IVES Conference Series 9 REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

Abstract

Understanding the composition of wine and how it is influenced by climate or wine-making practices is a challenging issue. Two approaches are typically used to explore this issue. The first approach uses che-mical fingerprints, which require advanced tools such as high-resolution mass spectrometry and mul-tidimensional chromatography. The second approach is the targeted method, which relies on the widely available 1-D GC/MS, but involves integrating the areas under a few peaks which ends up using only a small fraction of the chromatogram.

Here, we employ state-of-the-art machine learning methods to optimize the analysis of 1-D GC/MS chromatograms. Specifically, we aim to determine whether these chromatograms contain valuable in-formation beyond the manually extracted peaks typically utilized in the targeted approach.

To explore those questions, we analyzed 4 different types of 1-D raw chromatograms (3 SIM and 1 full-scan) of 80 wines (12 vintages from 7 estates of the Bordeaux area. We first applied nonlinear dimensio-nality reduction techniques (T-SNE and UMAP) to the chromatograms to obtain 2D maps. In the resul-ting maps, wines of the same estates across multiple vintages tended to form clear clusters, whose spatial distribution reflected the geography of the Bordeaux wine region. This indicated that, for this particular set of wine, the raw chromatograms are highly informative about terroir and wine identity.

Next, we applied cross-validated classifiers to the raw chromatograms and found that we could recover perfectly well estates identity independent of vintage. By contrast, performance on vintage classifica-tion was much lower with a maximum performance of 50% correct.

Crucially, we found that the entire chromatogram is informative with respect to both of these variables. Thus, the extraction of specific peaks of the chromatogram to quantify the concentration of 32 known chemical compounds–discarding the rest of the chromatograms–led to worse classification perfor-mance, suggesting that estate identity is distributed over a large chemical spectrum, including many molecules that have yet to be identified.

In addition, the GC raw data can be used to predict the ratings of a professional wine critic (Robert Par-ker) above chance, thus suggesting that GC might also contain information about the organoleptic pro-perties of wine.

Overall, this study demonstrates the strong potential of raw chromatogram analysis for wine characte-rization and identification.

DOI:

Publication date: February 9, 2024

Issue: OENO Macrowine 2023

Type: Article

Authors

Michael Schartner¹, Jeff M. Beck², Justine Laboyrie³, Laurent Riquier³, Stephanie Marchand3*, Alexandre Pouget4*

1. Center for the Unknown. Champalimaud Institute. Lisbon. Portugal. 
2. Duke university. USA
3. Université de Bordeaux, ISVV, INRAE, UMR 1366 OENOLOGIE, 33140 Villenave d’Ornon, France
4. Département des neurosciences fondamentales. Université de Genève. Suisse. 

Contact the author*

Keywords

Machine learning, Wine composition, Sensorial classification, Terroir

Tags

IVES Conference Series | oeno macrowine 2023 | oeno-macrowine

Citation

Related articles…

CLIMATE CHANGE EFFECT ON POLYPHENOLS OF GRIGNOLINO GRAPES (VITIS VINIFERA L.) IN HILLY ENVIRONMENT

Current changes of ecoclimatic indicators may cause significant variation in grapevine phenology and grape ripening. Climate change modifies several abiotic factors (e.g. temperature, sunlight radiation, water availability) during the grapevine growth cycle, having a direct impact on the phenological stages of the grapevine, modulating the metabolic profile of berries and activating the synthesis and accumulation of diverse compounds in the skin of berries, with consequences on the composition of the grapes. The influence exerted by different meteorological conditions, during three consecutive years (2020-2022) on secondary metabolites such as the polyphenolic profile of Grignolino grapes was investigated. The samples were collected from three vineyards characterized by different microclimatic conditions mainly related to the vineyard aspect and to a different age of the plants.

THE INFLUENCE OF COMMERCIAL SACCHAROMYCES CEREVISIAE ON THE POLY-SACCHARIDES AND OTHER CHEMICAL PROFILES OF NEW ZEALAND PINOT NOIR WINES

Wine polysaccharides (PS) play an important role in balancing mouthfeel and stability of wine and even influence aroma volatility. Despite this, there is limited research into the effect of winemaking additives on the polysaccharide profile and other macromolecules of New Zealand (NZ) Pinot noir wine. In this study the influence of a selection of commercial S. cerevisiae strains on the chemical profile, including polysaccharides, of New Zealand Pinot noir (PN) wine was investigated. Research scale PN fermentations using five strains of commercially available S. cerevisiae (Lalvin EC1118 and RC212, Levuline BRG YSEO, Viallate Ferm R71 and R82) were undertaken. PS were qualified and quantified using HPLC-RID.

MOVING FROM SULFITES TO BIOPROTECTION: WHICH IMPACT ON CHARDONNAY WINE?

Over the last few years, several tools have been developed to reduce the quantity of sulfites used during winemaking, including bioprotection. Although its effectiveness in preventing the development of spoilage microorganisms has been proven, few data are available on the impact of sulfite substitution by bioprotection on the final product. The objective of this study was therefore to characterize Chardonnay wines with the addition of sulfite or bioprotection in the pre-fermentation stage. The effects of both treatments on resulting matrices was evaluated at several scales: analysis of classical oenological parameters, antioxidant capacity, phenolic compounds, non-volatile metabolome and sensory profile.

FLAVONOID POTENTIAL OF MINORITY RED GRAPE VARIETIES

The alteration in the rainfall pattern and the increase in the temperatures associated to global climate change are already affecting wine production in many viticultural regions all around the world (1). In fact, grapes are nowadays ripening earlier from a technological point of view than in the past, but they are not necessarily mature from a phenolic point of view. Consequently, the wines made from these grapes can be unbalanced or show high alcohol content. Dramatic shifts in viticultural areas are currently being projected for the future (2).

IDENTIFICATION AND LEVELS OF PHENOLIC COMPOUNDS (TANINS, ANTHO-CYANS) IN RED VARIETAL WINES (PROKUPAC AND BLACK TAMJANIKA) FROM SERBIA

The phenolic compounds of red wines represent a source of numerous benefits for human health, which is why they are a constant subject of scientific research. Winemaking in Serbia has a growing economic significance, with particularly autochthonous varieties included [1]. This research identifies and quantifies phenolic compounds of Serbian red varietal wines of Prokupac and Black Tamjanika varieties. Quantification of the level of phenolics has been conducted, including molecular tannins [(+)-catechin, (-)-epicatechin, procyanidin dimers B1, B2, B3, B4], molecular anthocyanins, and the mean degree of polymerization of tannins by HPLC by UV detection, total antioxidant capacity via spectrophotometric methods and chromatic characteristics via CIELAB.